4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

C20H24N4O2 — CID 109168852

IUPAC4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O2/c25-16-23-11-13-24(14-12-23)20(26)18-8-10-22-19(15-18)21-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,21,22)
InChIKeyWULXHJZBHKKMIT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.04
Rot. Bonds7

About 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109168852) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109168852
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O2/c25-16-23-11-13-24(14-12-23)20(26)18-8-10-22-19(15-18)21-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,21,22)
InChIKeyWULXHJZBHKKMIT-UHFFFAOYSA-N
XLogP2.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168856
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278771
4-[2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367609
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109168852) is 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1.
What is the InChIKey of 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is WULXHJZBHKKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-16-23-11-13-24(14-12-23)20(26)18-8-10-22-19(15-18)21-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,21,22).
What are the key properties of 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109168852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).